(2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide

C19H20N2S — CID 2327706

IUPAC(2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide
SMILESCN1/C(=C\C(=S)Nc2ccccc2)C(C)(C)c2ccccc21
InChIInChI=1S/C19H20N2S/c1-19(2)15-11-7-8-12-16(15)21(3)17(19)13-18(22)20-14-9-5-4-6-10-14/h4-13H,1-3H3,(H,20,22)/b17-13-
InChIKeyPPYWMUJUBCIVKS-LGMDPLHJSA-N
MW308.45 g/mol
LogP4.74
Rot. Bonds2

About (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide

(2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide (PubChem CID 2327706) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide.

Molecular Properties

Compound Name(2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide
PubChem CID2327706
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name(2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide
SMILESCN1/C(=C\C(=S)Nc2ccccc2)C(C)(C)c2ccccc21
InChIInChI=1S/C19H20N2S/c1-19(2)15-11-7-8-12-16(15)21(3)17(19)13-18(22)20-14-9-5-4-6-10-14/h4-13H,1-3H3,(H,20,22)/b17-13-
InChIKeyPPYWMUJUBCIVKS-LGMDPLHJSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide?
The IUPAC name of (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide (CID 2327706) is (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide.
What is the SMILES notation for (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide?
The canonical SMILES for (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide is CN1/C(=C\C(=S)Nc2ccccc2)C(C)(C)c2ccccc21.
What is the InChIKey of (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide?
The InChIKey is PPYWMUJUBCIVKS-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H20N2S/c1-19(2)15-11-7-8-12-16(15)21(3)17(19)13-18(22)20-14-9-5-4-6-10-14/h4-13H,1-3H3,(H,20,22)/b17-13-.
What are the key properties of (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide?
(2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide has a molecular weight of 308.45 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-phenyl-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide is sourced from PubChem (CID 2327706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).